UCSF

ZINC49550867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 3.22 -43.31 5 5 1 75 251.354 4
Lo Low (pH 4.5-6) 0.55 2.56 -86 5 5 2 74 252.362 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )